#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/31/7013149.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7013149
loop_
_publ_author_name
'Yip, Ka-Lai'
'Yu, Wing-Yiu'
'Chan, Pui-Ming'
'Zhu, Nian-Yong'
'Che, Chi-Ming'
_publ_section_title
;
 Nitrido-ruthenium(vi) and -osmium(vi) complexes of multianionic
 chelating (N, O) ligands. Reactions with nucleophiles, electrophiles
 and oxidizing agentsElectronic supplementary information (ESI)
 available: Fig. S1?S6. See http://www.rsc.org/suppdata/dt/b3/b304920p/
;
_journal_issue                   18
_journal_name_full               'Dalton Transactions'
_journal_page_first              3556
_journal_paper_doi               10.1039/b304920p
_journal_year                    2003
_chemical_formula_moiety         'C59 H53 Cl N O3 P2 Ru'
_chemical_formula_sum            'C59 H53 Cl N O3 P2 Ru'
_chemical_formula_weight         1022.48
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.48(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   49.377(10)
_cell_length_b                   9.4650(19)
_cell_length_c                   21.639(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     9792(4)
_computing_cell_refinement       Scalepack
_computing_data_collection       Marcontrol
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Shelxs-97
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.853
_diffrn_measured_fraction_theta_max 0.853
_diffrn_measurement_device_type  'Marresearch IPDS mar300'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0479
_diffrn_reflns_av_sigmaI/netI    0.0823
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_h_min       -59
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            21135
_diffrn_reflns_theta_full        25.47
_diffrn_reflns_theta_max         25.47
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.487
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4232
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.361
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         7761
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0907P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1431
_refine_ls_wR_factor_ref         0.1541
_reflns_number_gt                5230
_reflns_number_total             7761
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b304920p.txt
_cod_data_source_block           mar116
_cod_original_cell_volume        9792(3)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7013149
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.878710(7) 0.09414(4) 0.02026(2) 0.03159(15) Uani 1 1 d . . .
Cl1 Cl 0.88815(3) -0.08339(14) -0.05389(7) 0.0511(4) Uani 1 1 d . . .
P1 P 0.86992(3) 0.29078(12) 0.07849(7) 0.0353(3) Uani 1 1 d . . .
P2 P 0.88083(3) 0.26874(12) -0.05481(7) 0.0353(3) Uani 1 1 d . . .
O1 O 0.83700(6) 0.0601(3) -0.00482(17) 0.0357(8) Uani 1 1 d . . .
O2 O 0.91886(6) 0.1503(3) 0.05580(16) 0.0355(8) Uani 1 1 d . . .
N1 N 0.88211(8) -0.0671(4) 0.0940(2) 0.0337(9) Uani 1 1 d . . .
C1 C 0.82245(9) -0.0691(5) -0.0035(3) 0.0388(12) Uani 1 1 d . . .
C2 C 0.84323(10) -0.1925(4) 0.0217(3) 0.0411(13) Uani 1 1 d . . .
H2A H 0.8326 -0.2785 0.0224 0.049 Uiso 1 1 calc R . .
H2B H 0.8549 -0.2070 -0.0077 0.049 Uiso 1 1 calc R . .
C3 C 0.86150(10) -0.1665(5) 0.0868(3) 0.0385(13) Uani 1 1 d . . .
C4 C 0.85858(11) -0.2461(5) 0.1381(3) 0.0504(15) Uani 1 1 d . . .
H4 H 0.8436 -0.3081 0.1333 0.061 Uiso 1 1 calc R . .
C5 C 0.87751(12) -0.2347(6) 0.1958(3) 0.0569(16) Uani 1 1 d . . .
H5 H 0.8753 -0.2844 0.2313 0.068 Uiso 1 1 calc R . .
C6 C 0.90002(11) -0.1466(6) 0.1994(3) 0.0506(15) Uani 1 1 d . . .
H6 H 0.9141 -0.1435 0.2370 0.061 Uiso 1 1 calc R . .
C7 C 0.90224(10) -0.0625(5) 0.1487(3) 0.0360(12) Uani 1 1 d . . .
C8 C 0.92742(9) 0.0296(5) 0.1560(3) 0.0400(12) Uani 1 1 d . . .
H8A H 0.9425 -0.0143 0.1876 0.048 Uiso 1 1 calc R . .
H8B H 0.9233 0.1186 0.1740 0.048 Uiso 1 1 calc R . .
C9 C 0.93851(9) 0.0639(5) 0.0983(3) 0.0347(11) Uani 1 1 d . . .
C10 C 0.80497(10) -0.0971(5) -0.0717(3) 0.0444(13) Uani 1 1 d . . .
C11 C 0.80779(13) -0.2126(7) -0.1077(3) 0.0693(19) Uani 1 1 d . . .
H11 H 0.8212 -0.2805 -0.0906 0.083 Uiso 1 1 calc R . .
C12 C 0.79103(16) -0.2307(8) -0.1693(4) 0.086(2) Uani 1 1 d . . .
H12 H 0.7933 -0.3095 -0.1932 0.103 Uiso 1 1 calc R . .
C13 C 0.77130(15) -0.1320(9) -0.1944(4) 0.082(2) Uani 1 1 d . . .
H13 H 0.7598 -0.1447 -0.2352 0.099 Uiso 1 1 calc R . .
C14 C 0.76822(12) -0.0143(8) -0.1600(3) 0.0704(19) Uani 1 1 d . . .
H14 H 0.7548 0.0534 -0.1775 0.085 Uiso 1 1 calc R . .
C15 C 0.78500(11) 0.0027(6) -0.1000(3) 0.0532(15) Uani 1 1 d . . .
H15 H 0.7830 0.0837 -0.0772 0.064 Uiso 1 1 calc R . .
C16 C 0.80300(9) -0.0608(5) 0.0416(3) 0.0385(12) Uani 1 1 d . . .
C17 C 0.78499(11) -0.1737(5) 0.0446(3) 0.0469(14) Uani 1 1 d . . .
H17 H 0.7840 -0.2501 0.0171 0.056 Uiso 1 1 calc R . .
C18 C 0.76878(11) -0.1727(6) 0.0876(3) 0.0535(15) Uani 1 1 d . . .
H18 H 0.7570 -0.2487 0.0891 0.064 Uiso 1 1 calc R . .
C19 C 0.76970(11) -0.0596(6) 0.1291(3) 0.0524(15) Uani 1 1 d . . .
H19 H 0.7587 -0.0595 0.1582 0.063 Uiso 1 1 calc R . .
C20 C 0.78726(12) 0.0527(6) 0.1263(3) 0.0585(16) Uani 1 1 d . . .
H20 H 0.7880 0.1293 0.1536 0.070 Uiso 1 1 calc R . .
C21 C 0.80364(11) 0.0514(5) 0.0832(3) 0.0486(14) Uani 1 1 d . . .
H21 H 0.8154 0.1275 0.0820 0.058 Uiso 1 1 calc R . .
C22 C 0.94638(9) -0.0629(5) 0.0646(3) 0.0391(13) Uani 1 1 d . . .
C23 C 0.94398(10) -0.2015(5) 0.0825(3) 0.0486(14) Uani 1 1 d . . .
H23 H 0.9370 -0.2217 0.1176 0.058 Uiso 1 1 calc R . .
C24 C 0.95208(12) -0.3115(6) 0.0477(4) 0.0622(18) Uani 1 1 d . . .
H24 H 0.9502 -0.4047 0.0594 0.075 Uiso 1 1 calc R . .
C25 C 0.96272(12) -0.2833(6) -0.0031(4) 0.068(2) Uani 1 1 d . . .
H25 H 0.9678 -0.3578 -0.0260 0.082 Uiso 1 1 calc R . .
C26 C 0.96619(12) -0.1464(6) -0.0214(3) 0.0611(17) Uani 1 1 d . . .
H26 H 0.9740 -0.1273 -0.0554 0.073 Uiso 1 1 calc R . .
C27 C 0.95760(11) -0.0372(6) 0.0127(3) 0.0497(14) Uani 1 1 d . . .
H27 H 0.9594 0.0557 0.0004 0.060 Uiso 1 1 calc R . .
C28 C 0.96529(10) 0.1516(5) 0.1238(3) 0.0413(13) Uani 1 1 d . . .
C29 C 0.98914(11) 0.0911(6) 0.1602(3) 0.0533(15) Uani 1 1 d . . .
H29 H 0.9891 -0.0039 0.1711 0.064 Uiso 1 1 calc R . .
C30 C 1.01362(11) 0.1701(8) 0.1813(3) 0.0677(19) Uani 1 1 d . . .
H30 H 1.0295 0.1267 0.2062 0.081 Uiso 1 1 calc R . .
C31 C 1.01467(13) 0.3056(7) 0.1665(4) 0.079(2) Uani 1 1 d . . .
H31 H 1.0311 0.3573 0.1805 0.095 Uiso 1 1 calc R . .
C32 C 0.99168(14) 0.3653(7) 0.1313(5) 0.128(4) Uani 1 1 d . . .
H32 H 0.9920 0.4607 0.1212 0.154 Uiso 1 1 calc R . .
C33 C 0.96726(13) 0.2905(7) 0.1092(4) 0.094(3) Uani 1 1 d . . .
H33 H 0.9517 0.3359 0.0837 0.113 Uiso 1 1 calc R . .
C34 C 0.88858(10) 0.4394(5) 0.0526(3) 0.0431(13) Uani 1 1 d . . .
H34A H 0.8839 0.5270 0.0707 0.052 Uiso 1 1 calc R . .
H34B H 0.9086 0.4252 0.0672 0.052 Uiso 1 1 calc R . .
C35 C 0.88005(11) 0.4473(5) -0.0195(3) 0.0441(13) Uani 1 1 d . . .
H35A H 0.8927 0.5095 -0.0343 0.053 Uiso 1 1 calc R . .
H35B H 0.8613 0.4862 -0.0333 0.053 Uiso 1 1 calc R . .
C36 C 0.87996(10) 0.2912(5) 0.1654(3) 0.0431(13) Uani 1 1 d . . .
C37 C 0.86870(11) 0.1886(6) 0.1990(3) 0.0527(15) Uani 1 1 d . . .
H37 H 0.8562 0.1223 0.1764 0.063 Uiso 1 1 calc R . .
C38 C 0.87599(15) 0.1848(8) 0.2652(3) 0.0704(19) Uani 1 1 d . . .
H38 H 0.8682 0.1169 0.2865 0.085 Uiso 1 1 calc R . .
C39 C 0.89438(17) 0.2791(9) 0.2986(4) 0.085(2) Uani 1 1 d . . .
H39 H 0.8995 0.2738 0.3429 0.102 Uiso 1 1 calc R . .
C40 C 0.90552(14) 0.3819(8) 0.2685(4) 0.073(2) Uani 1 1 d . . .
H40 H 0.9177 0.4480 0.2923 0.088 Uiso 1 1 calc R . .
C41 C 0.89851(11) 0.3884(6) 0.2006(3) 0.0547(15) Uani 1 1 d . . .
H41 H 0.9064 0.4576 0.1799 0.066 Uiso 1 1 calc R . .
C42 C 0.83385(9) 0.3566(5) 0.0600(3) 0.0389(13) Uani 1 1 d . . .
C43 C 0.82232(10) 0.4144(5) 0.1070(3) 0.0466(14) Uani 1 1 d . . .
H43 H 0.8332 0.4238 0.1486 0.056 Uiso 1 1 calc R . .
C44 C 0.79474(12) 0.4577(6) 0.0914(3) 0.0575(17) Uani 1 1 d . . .
H44 H 0.7871 0.4950 0.1230 0.069 Uiso 1 1 calc R . .
C45 C 0.77847(12) 0.4466(6) 0.0304(4) 0.0626(18) Uani 1 1 d . . .
H45 H 0.7598 0.4744 0.0207 0.075 Uiso 1 1 calc R . .
C46 C 0.78993(11) 0.3943(6) -0.0164(3) 0.0575(16) Uani 1 1 d . . .
H46 H 0.7792 0.3904 -0.0583 0.069 Uiso 1 1 calc R . .
C47 C 0.81743(10) 0.3469(5) -0.0020(3) 0.0461(14) Uani 1 1 d . . .
H47 H 0.8248 0.3087 -0.0338 0.055 Uiso 1 1 calc R . .
C48 C 0.85458(10) 0.2809(5) -0.1305(3) 0.0413(13) Uani 1 1 d . . .
C49 C 0.83952(12) 0.1622(6) -0.1576(3) 0.0583(16) Uani 1 1 d . . .
H49 H 0.8426 0.0769 -0.1356 0.070 Uiso 1 1 calc R . .
C50 C 0.82059(13) 0.1665(8) -0.2148(3) 0.077(2) Uani 1 1 d . . .
H50 H 0.8113 0.0847 -0.2323 0.092 Uiso 1 1 calc R . .
C51 C 0.81516(14) 0.2921(9) -0.2469(4) 0.080(2) Uani 1 1 d . . .
H51 H 0.8020 0.2967 -0.2859 0.096 Uiso 1 1 calc R . .
C52 C 0.82977(15) 0.4146(8) -0.2199(3) 0.072(2) Uani 1 1 d . . .
H52 H 0.8260 0.5010 -0.2408 0.087 Uiso 1 1 calc R . .
C53 C 0.84950(12) 0.4059(6) -0.1632(3) 0.0569(15) Uani 1 1 d . . .
H53 H 0.8596 0.4860 -0.1466 0.068 Uiso 1 1 calc R . .
C54 C 0.91344(10) 0.2646(5) -0.0797(3) 0.0425(13) Uani 1 1 d . . .
C55 C 0.91759(12) 0.1615(6) -0.1209(3) 0.0566(15) Uani 1 1 d . . .
H55 H 0.9029 0.1021 -0.1401 0.068 Uiso 1 1 calc R . .
C56 C 0.94356(14) 0.1443(7) -0.1344(3) 0.0698(19) Uani 1 1 d . . .
H56 H 0.9461 0.0729 -0.1620 0.084 Uiso 1 1 calc R . .
C57 C 0.96538(14) 0.2318(8) -0.1073(4) 0.082(2) Uani 1 1 d . . .
H57 H 0.9828 0.2204 -0.1158 0.098 Uiso 1 1 calc R . .
C58 C 0.96093(14) 0.3349(8) -0.0681(5) 0.094(3) Uani 1 1 d . . .
H58 H 0.9755 0.3960 -0.0499 0.113 Uiso 1 1 calc R . .
C59 C 0.93533(12) 0.3525(6) -0.0540(4) 0.0659(19) Uani 1 1 d . . .
H59 H 0.9330 0.4249 -0.0267 0.079 Uiso 1 1 calc R . .
O3 O 0.97064(16) -0.3277(7) 0.2408(3) 0.169(3) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Ru1 O1 170.58(13) . . ?
O2 Ru1 N1 90.97(13) . . ?
O1 Ru1 N1 88.38(14) . . ?
O2 Ru1 P2 82.40(10) . . ?
O1 Ru1 P2 98.39(10) . . ?
N1 Ru1 P2 173.23(10) . . ?
O2 Ru1 P1 83.22(10) . . ?
O1 Ru1 P1 87.59(9) . . ?
N1 Ru1 P1 98.79(11) . . ?
P2 Ru1 P1 81.89(5) . . ?
O2 Ru1 Cl1 95.81(10) . . ?
O1 Ru1 Cl1 93.60(10) . . ?
N1 Ru1 Cl1 90.37(11) . . ?
P2 Ru1 Cl1 88.91(5) . . ?
P1 Ru1 Cl1 170.80(5) . . ?
C36 P1 C42 102.9(2) . . ?
C36 P1 C34 106.5(2) . . ?
C42 P1 C34 101.9(2) . . ?
C36 P1 Ru1 121.11(16) . . ?
C42 P1 Ru1 116.85(17) . . ?
C34 P1 Ru1 105.55(18) . . ?
C48 P2 C54 102.6(2) . . ?
C48 P2 C35 103.2(2) . . ?
C54 P2 C35 104.6(2) . . ?
C48 P2 Ru1 121.63(16) . . ?
C54 P2 Ru1 112.75(17) . . ?
C35 P2 Ru1 110.36(18) . . ?
C1 O1 Ru1 128.2(3) . . ?
C9 O2 Ru1 123.0(3) . . ?
C7 N1 C3 119.2(4) . . ?
C7 N1 Ru1 121.8(3) . . ?
C3 N1 Ru1 118.7(3) . . ?
O1 C1 C10 107.1(4) . . ?
O1 C1 C16 111.6(4) . . ?
C10 C1 C16 109.2(4) . . ?
O1 C1 C2 111.1(4) . . ?
C10 C1 C2 111.7(4) . . ?
C16 C1 C2 106.1(4) . . ?
C3 C2 C1 113.4(4) . . ?
N1 C3 C4 120.7(5) . . ?
N1 C3 C2 118.6(5) . . ?
C4 C3 C2 120.7(5) . . ?
C5 C4 C3 120.5(5) . . ?
C4 C5 C6 117.3(5) . . ?
C5 C6 C7 121.8(5) . . ?
N1 C7 C6 119.6(4) . . ?
N1 C7 C8 121.7(4) . . ?
C6 C7 C8 118.7(5) . . ?
C7 C8 C9 119.9(4) . . ?
O2 C9 C22 111.3(4) . . ?
O2 C9 C8 109.1(4) . . ?
C22 C9 C8 114.7(4) . . ?
O2 C9 C28 108.0(4) . . ?
C22 C9 C28 107.5(4) . . ?
C8 C9 C28 105.9(4) . . ?
C11 C10 C15 117.0(5) . . ?
C11 C10 C1 124.8(5) . . ?
C15 C10 C1 118.2(5) . . ?
C10 C11 C12 121.5(6) . . ?
C13 C12 C11 119.4(7) . . ?
C12 C13 C14 120.6(7) . . ?
C15 C14 C13 119.3(7) . . ?
C14 C15 C10 122.2(6) . . ?
C21 C16 C17 117.7(5) . . ?
C21 C16 C1 122.4(4) . . ?
C17 C16 C1 119.7(4) . . ?
C18 C17 C16 120.7(5) . . ?
C17 C18 C19 120.9(5) . . ?
C20 C19 C18 119.0(5) . . ?
C21 C20 C19 120.2(5) . . ?
C20 C21 C16 121.6(5) . . ?
C23 C22 C27 118.1(5) . . ?
C23 C22 C9 124.8(5) . . ?
C27 C22 C9 117.0(4) . . ?
C22 C23 C24 119.9(6) . . ?
C25 C24 C23 120.7(5) . . ?
C24 C25 C26 121.2(6) . . ?
C25 C26 C27 117.9(6) . . ?
C22 C27 C26 122.1(5) . . ?
C33 C28 C29 115.9(5) . . ?
C33 C28 C9 122.8(5) . . ?
C29 C28 C9 121.2(5) . . ?
C28 C29 C30 120.9(6) . . ?
C31 C30 C29 121.5(6) . . ?
C30 C31 C32 118.1(6) . . ?
C31 C32 C33 122.0(7) . . ?
C28 C33 C32 121.6(6) . . ?
C35 C34 P1 108.6(3) . . ?
C34 C35 P2 110.5(3) . . ?
C41 C36 C37 117.9(6) . . ?
C41 C36 P1 122.7(5) . . ?
C37 C36 P1 119.4(4) . . ?
C38 C37 C36 121.1(6) . . ?
C39 C38 C37 120.2(7) . . ?
C38 C39 C40 121.0(8) . . ?
C39 C40 C41 120.1(7) . . ?
C36 C41 C40 119.7(6) . . ?
C47 C42 C43 119.0(5) . . ?
C47 C42 P1 119.4(4) . . ?
C43 C42 P1 121.6(4) . . ?
C44 C43 C42 119.7(6) . . ?
C45 C44 C43 121.2(6) . . ?
C44 C45 C46 119.4(5) . . ?
C45 C46 C47 120.8(6) . . ?
C42 C47 C46 119.9(5) . . ?
C53 C48 C49 118.0(5) . . ?
C53 C48 P2 121.1(4) . . ?
C49 C48 P2 120.8(4) . . ?
C50 C49 C48 122.3(6) . . ?
C49 C50 C51 119.5(7) . . ?
C50 C51 C52 119.3(6) . . ?
C53 C52 C51 119.8(6) . . ?
C52 C53 C48 120.9(6) . . ?
C59 C54 C55 117.8(5) . . ?
C59 C54 P2 122.3(5) . . ?
C55 C54 P2 119.6(4) . . ?
C54 C55 C56 120.9(6) . . ?
C57 C56 C55 120.4(7) . . ?
C58 C57 C56 118.2(6) . . ?
C57 C58 C59 121.9(6) . . ?
C54 C59 C58 120.7(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O2 2.010(3) . ?
Ru1 O1 2.020(3) . ?
Ru1 N1 2.183(4) . ?
Ru1 P2 2.3379(14) . ?
Ru1 P1 2.3480(13) . ?
Ru1 Cl1 2.4472(14) . ?
P1 C36 1.821(6) . ?
P1 C42 1.834(5) . ?
P1 C34 1.844(5) . ?
P2 C48 1.820(5) . ?
P2 C54 1.822(5) . ?
P2 C35 1.859(5) . ?
O1 C1 1.422(5) . ?
O2 C9 1.417(5) . ?
N1 C7 1.343(6) . ?
N1 C3 1.366(6) . ?
C1 C10 1.535(7) . ?
C1 C16 1.533(7) . ?
C1 C2 1.561(6) . ?
C2 C3 1.491(7) . ?
C3 C4 1.379(7) . ?
C4 C5 1.364(8) . ?
C5 C6 1.376(7) . ?
C6 C7 1.382(7) . ?
C7 C8 1.494(6) . ?
C8 C9 1.520(7) . ?
C9 C22 1.504(7) . ?
C9 C28 1.542(6) . ?
C10 C11 1.369(8) . ?
C10 C15 1.391(7) . ?
C11 C12 1.394(10) . ?
C12 C13 1.360(10) . ?
C13 C14 1.368(10) . ?
C14 C15 1.366(8) . ?
C16 C21 1.388(7) . ?
C16 C17 1.402(7) . ?
C17 C18 1.372(8) . ?
C18 C19 1.390(8) . ?
C19 C20 1.382(7) . ?
C20 C21 1.379(8) . ?
C22 C23 1.381(7) . ?
C22 C27 1.392(8) . ?
C23 C24 1.401(8) . ?
C24 C25 1.357(9) . ?
C25 C26 1.379(9) . ?
C26 C27 1.396(8) . ?
C28 C33 1.361(8) . ?
C28 C29 1.368(7) . ?
C29 C30 1.397(8) . ?
C30 C31 1.326(9) . ?
C31 C32 1.325(9) . ?
C32 C33 1.377(8) . ?
C34 C35 1.512(7) . ?
C36 C41 1.384(7) . ?
C36 C37 1.407(7) . ?
C37 C38 1.387(9) . ?
C38 C39 1.348(10) . ?
C39 C40 1.361(10) . ?
C40 C41 1.426(9) . ?
C42 C47 1.385(7) . ?
C42 C43 1.396(7) . ?
C43 C44 1.381(7) . ?
C44 C45 1.368(9) . ?
C45 C46 1.370(9) . ?
C46 C47 1.390(7) . ?
C48 C53 1.369(7) . ?
C48 C49 1.393(7) . ?
C49 C50 1.352(8) . ?
C50 C51 1.368(9) . ?
C51 C52 1.412(9) . ?
C52 C53 1.366(9) . ?
C54 C59 1.367(7) . ?
C54 C55 1.372(8) . ?
C55 C56 1.394(8) . ?
C56 C57 1.369(9) . ?
C57 C58 1.347(10) . ?
C58 C59 1.382(8) . ?
